ethyl 5-[3-(benzylamino)-3-oxopropyl]-1-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-(benzylamino)-3-oxopropyl]-1-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[3-(benzylamino)-3-oxopropyl]-1-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1461 |
| Compound Name: | ethyl 5-[3-(benzylamino)-3-oxopropyl]-1-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | CCn1c(C)c(C(=O)OCC)c(C)c1CCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1999 |
| logD: | 3.1999 |
| logSw: | -3.2679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.396 |
| InChI Key: | DNDBKPCBSDQTCO-UHFFFAOYSA-N |